# generated using pymatgen data_Ta8MnMoS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66654255 _cell_length_b 6.66654212 _cell_length_c 12.45244241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000711 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta8MnMoS16 _chemical_formula_sum 'Ta8 Mn1 Mo1 S16' _cell_volume 479.27682049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.50670142 0.49329858 0.74662901 1.0 Ta Ta1 1 0.01340185 0.50670142 0.25337099 1.0 Ta Ta2 1 0.49329858 0.98659815 0.25337099 1.0 Ta Ta3 1 0.50670142 0.01340185 0.74662901 1.0 Ta Ta4 1 0.98659815 0.49329858 0.74662901 1.0 Ta Ta5 1 0.49329858 0.50670142 0.25337099 1.0 Ta Ta6 1 0.00000000 0.00000000 0.74714495 1.0 Ta Ta7 1 0.00000000 0.00000000 0.25285505 1.0 Mn Mn8 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo9 1 0.00000000 0.00000000 0.50000000 1.0 S S10 1 0.83291862 0.16708138 0.37747019 1.0 S S11 1 0.83291862 0.66583725 0.37747019 1.0 S S12 1 0.33416275 0.16708138 0.37747019 1.0 S S13 1 0.66260636 0.83130368 0.87153931 1.0 S S14 1 0.16708138 0.33416275 0.62252981 1.0 S S15 1 0.16869632 0.83130368 0.87153931 1.0 S S16 1 0.16869632 0.33739364 0.87153931 1.0 S S17 1 0.83130368 0.16869632 0.12846069 1.0 S S18 1 0.33739364 0.16869632 0.12846069 1.0 S S19 1 0.66583725 0.83291862 0.62252981 1.0 S S20 1 0.33333300 0.66666700 0.12499257 1.0 S S21 1 0.66666700 0.33333300 0.61802923 1.0 S S22 1 0.66666700 0.33333300 0.87500743 1.0 S S23 1 0.33333300 0.66666700 0.38197077 1.0 S S24 1 0.83130368 0.66260636 0.12846069 1.0 S S25 1 0.16708138 0.83291862 0.62252981 1.0